N-[2-(3-methylsulfanylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[2-(3-methylsulfanylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[2-(3-methylsulfanylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[2-[3-(methylthio)propyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[2-(3-methylsulfanylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[2-[3-(methylthio)propyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide Formula: C21H23F3N2OS MolecularWeight: 408.48033

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCN1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CSCCCN1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N2OS/c1-28-12-2-10-26-11-9-15-5-8-19(13-17(15)14-26)25-20(27)16-3-6-18(7-4-16)21(22,23)24/h3-8,13H,2,9-12,14H2,1H3,(H,25,27)